SCHEMBL14376792

SCHEMBL14376792

Cc1ccc2c(c1)nnn2Cc1ccc(C(=O)NO)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.67
▸ HDAC6 Q9UBN7 14/20 0.56
▸ HDAC1 Q13547 12/20 0.56
▸ HDAC3 O15379 8/20 0.56
▸ HDAC2 Q92769 8/20 0.56
▸ HDAC8 Q9BY41 8/20 0.56
▸ HDAC4 P56524 7/20 0.56
▸ HDAC7 Q8WUI4 7/20 0.56
▸ HDAC10 Q969S8 7/20 0.56
▸ HDAC11 Q96DB2 7/20 0.56
▸ HDAC9 Q9UKV0 7/20 0.56
▸ HDAC5 Q9UQL6 7/20 0.56
▸ NCOR2 Q9Y618 6/20 0.56
▸ HCAR3 P49019 2/20 0.55
▸ MAPT P10636 2/20 0.53
▸ CYP3A4 P08684 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14376789 0.86 HCAR3 (0.56) NAMPTHDAC6HDAC1HDAC3HDAC2
SCHEMBL14376786 0.86 HCAR3 (0.56) NAMPTHDAC6HDAC1HDAC3HDAC2
SCHEMBL14376793 0.85 HCAR3 (0.55) NAMPTHDAC6HDAC1HDAC3HDAC2
SCHEMBL14376781 0.82 GRM2 (0.61) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL29110803 0.81 HDAC6 (0.60) NAMPTHDAC6HDAC1HDAC3HDAC2
SCHEMBL29606054 0.81 HDAC6 (0.60) NAMPTHDAC6HDAC1HDAC3HDAC2
SCHEMBL29110728 0.79 HDAC6 (0.52) NAMPTHDAC6HDAC1HDAC3HDAC2
SCHEMBL29606246 0.79 HDAC6 (0.52) NAMPTHDAC6HDAC1HDAC3HDAC2
SCHEMBL14376776 0.78 HDAC6 (0.70) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL19848239 0.77 GRM2 (0.66) NAMPTHCAR3MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150197497-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE ISOFORM 6 AND METHODS THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-07-16 — — US disclosed
US-20150197497-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE ISOFORM 6 AND METHODS THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-07-16 — — US disclosed
WO-2012178208-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE ISOFORM 6 AND METHODS THEREOF THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOGY (US) 2012-12-27 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150197497-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE ISOFORM 6 AND METHODS THEREOF HDAC6, HDAC5, HDAC1 NAMPT 325/4885HDAC6 1/4885HDAC1 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback